6-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline

C22H25N3O — CID 3069164

IUPAC6-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline
SMILESc1ccc(N2CCN(CCCOc3ccc4ncccc4c3)CC2)cc1
InChIInChI=1S/C22H25N3O/c1-2-7-20(8-3-1)25-15-13-24(14-16-25)12-5-17-26-21-9-10-22-19(18-21)6-4-11-23-22/h1-4,6-11,18H,5,12-17H2
InChIKeyULTCLPZWZLHNIR-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.83
Rot. Bonds6

About 6-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline

6-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline (PubChem CID 3069164) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 6-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline.

Molecular Properties

Compound Name6-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline
PubChem CID3069164
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name6-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline
SMILESc1ccc(N2CCN(CCCOc3ccc4ncccc4c3)CC2)cc1
InChIInChI=1S/C22H25N3O/c1-2-7-20(8-3-1)25-15-13-24(14-16-25)12-5-17-26-21-9-10-22-19(18-21)6-4-11-23-22/h1-4,6-11,18H,5,12-17H2
InChIKeyULTCLPZWZLHNIR-UHFFFAOYSA-N
XLogP3.83
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline?
The IUPAC name of 6-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline (CID 3069164) is 6-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline.
What is the SMILES notation for 6-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline?
The canonical SMILES for 6-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline is c1ccc(N2CCN(CCCOc3ccc4ncccc4c3)CC2)cc1.
What is the InChIKey of 6-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline?
The InChIKey is ULTCLPZWZLHNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-2-7-20(8-3-1)25-15-13-24(14-16-25)12-5-17-26-21-9-10-22-19(18-21)6-4-11-23-22/h1-4,6-11,18H,5,12-17H2.
What are the key properties of 6-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline?
6-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline has a molecular weight of 347.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline is sourced from PubChem (CID 3069164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).